Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00130
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| Drug Name |
Leflunomide
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| Synonyms |
4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl; 4-isoxazolecarboxamide,5-methyl-N-(4-(trifluoromethyl)phenyl); 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide; 5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide; 5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide); 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide; AP-501/42475599; Alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide; Arava; Arava (TN); Arava, Leflunomide; Aventis Behring Brand of Leflunomide; Aventis Brand of Leflunomide; Aventis Pharma Brand of Leflunomide; HWA 486; HWA-486; Hoechst Brand of Leflunomide; L 5025; Leflunomid; Leflunomida; Leflunomida [INN-Spanish]; Leflunomide (JAN/USAN/INN); Leflunomide [USAN:INN]; Leflunomidum; Leflunomidum [INN-Latin]; Lefunamide; Lefunomide [Inn-Spanish]; N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide; RS-34821; SU 101; SU 101 (pharmaceutical); SU-101; SU101
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| Drug Type |
Small molecular drug
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| Indication | Active rheumatoid arthritis [ICD11:FA20] | Approved | [1] | |||
| Multiple scierosis [ICD11:8A40] | Preclinical | [1] | ||||
| Therapeutic Class |
Antiinflammatory Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C12H9F3N2O2
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| Canonical SMILES |
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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| InChIKey |
VHOGYURTWQBHIL-UHFFFAOYSA-N
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| CAS Number |
CAS 75706-12-6
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| Pharmaceutical Properties | Molecular Weight | 270.21 | Topological Polar Surface Area | 55.1 | ||
| Heavy Atom Count | 19 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
2.5
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| PubChem CID | ||||||
| PubChem SID |
10107
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,11111382
,11111383
,11336091
,11361330
,11363216
,11365778
,11368340
,11376502
,11462302
,11466800
,11467920
,11486519
,11494136
,11528672
,11533365
,12013774
,15221872
,17405210
,24278516
,26612550
,26746985
,26746986
,26746987
,29223013
,46506013
,47589061
,47662351
,47736556
,47885478
,48110514
,48259307
,48259308
,48416160
,49698814
,49835013
,50100264
,50104054
,50104055
,50104056
,517091
,604245
,6899003
,7847814
,7979735
,8150074
,8152456
,855764
,866530
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| ChEBI ID |
ChEBI:6402
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Leflunomide was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Leflunomide and its metabolite A771726 are high affinity substrates of BCRP: implications for drug resistance. Ann Rheum Dis. 2009 Jul;68(7):1201-7. | |||||
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